3,5-dimethyl-2-(2-phenoxyethoxy)aniline

C16H19NO2 — CID 54853263

IUPAC3,5-dimethyl-2-(2-phenoxyethoxy)aniline
SMILESCc1cc(C)c(OCCOc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO2/c1-12-10-13(2)16(15(17)11-12)19-9-8-18-14-6-4-3-5-7-14/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyCPUWXKOFUHESGE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds5

About 3,5-dimethyl-2-(2-phenoxyethoxy)aniline

3,5-dimethyl-2-(2-phenoxyethoxy)aniline (PubChem CID 54853263) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-phenoxyethoxy)aniline
PubChem CID54853263
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3,5-dimethyl-2-(2-phenoxyethoxy)aniline
SMILESCc1cc(C)c(OCCOc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO2/c1-12-10-13(2)16(15(17)11-12)19-9-8-18-14-6-4-3-5-7-14/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyCPUWXKOFUHESGE-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-2-(2-phenoxyethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-methyl-2-(2-phenoxyethoxy)aniline
CID 54853009
5-bromo-3-methyl-2-(3-phenoxypropoxy)aniline
CID 79842117
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
CID 102939310
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
2-(3-fluoropropoxy)-3,5-dimethylaniline
CID 81105678
4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
CID 61218955
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
CID 55036946
3,5-dimethyl-2-(3-methylsulfonylpropoxy)aniline
CID 63191136
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-phenoxyethoxy)aniline?
The IUPAC name of 3,5-dimethyl-2-(2-phenoxyethoxy)aniline (CID 54853263) is 3,5-dimethyl-2-(2-phenoxyethoxy)aniline.
What is the SMILES notation for 3,5-dimethyl-2-(2-phenoxyethoxy)aniline?
The canonical SMILES for 3,5-dimethyl-2-(2-phenoxyethoxy)aniline is Cc1cc(C)c(OCCOc2ccccc2)c(N)c1.
What is the InChIKey of 3,5-dimethyl-2-(2-phenoxyethoxy)aniline?
The InChIKey is CPUWXKOFUHESGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-10-13(2)16(15(17)11-12)19-9-8-18-14-6-4-3-5-7-14/h3-7,10-11H,8-9,17H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(2-phenoxyethoxy)aniline?
3,5-dimethyl-2-(2-phenoxyethoxy)aniline has a molecular weight of 257.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54853263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).